SCHEMBL5559262

SCHEMBL5559262

O=C(Nc1c(Cl)c[n+]([O-])cc1Cl)C(=O)c1cn(Cc2cccc([N+](=O)[O-])c2)c2ncccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.57
PDE4B Q07343 3/20 0.57
PDE4C Q08493 3/20 0.57
PDE4D Q08499 3/20 0.57
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
THRB P10828 2/20 0.40
TP53 P04637 1/20 0.40
LMNA P02545 4/20 0.38
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HTT P42858 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5755707 0.85 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL1860711 0.85 PDE4A (0.78) PDE4APDE4BPDE4CPDE4DTHRB
SCHEMBL5557124 0.84 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL5753089 0.83 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL5559123 0.83 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL5557057 0.82 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DTHRB
SCHEMBL5553053 0.82 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL5552787 0.81 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL5747683 0.81 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL5552928 0.81 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070161671-A1 7-Azaindoles and the use thereof as therapeutic agents BIOTIE THERAPIES GMBH (DE) 2007-07-12 US claimed
US-7211583-B2 7-azaindoles and the use thereof as therapeutic agents ELBION AG (DE) 2007-05-01 US claimed
JP-2006524209-A 2006-10-26 JP claimed
EP-1613627-A1 7-AZAINDOLES AND USE THEREOF AS THERAPEUTIC AGENTS Elbion AG (DE) 2006-01-11 EP claimed
US-20040224971-A1 7-azaindoles and the use thereof as therapeutic agents BIOTIE THERAPIES GMBH (DE) 2004-11-11 US claimed
WO-2004094416-A1 7-AZAINDOLES AND USE THEREOF AS THERAPEUTIC AGENTS ELBION AG (DE) 2004-11-04 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040224971-A1 7-azaindoles and the use thereof as therapeutic agents PDE4B, PDE4A, PDE4D PDE4A 2/4885PDE4B 1/4885PDE4C 4/4885
US-20070161671-A1 7-Azaindoles and the use thereof as therapeutic agents PDE4B, PDE4A, PDE4D PDE4A 2/4885PDE4B 1/4885PDE4C 4/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.